2-ethyl-N-(5-hydroxy-4-methylpentyl)hexanamide

C14H29NO2 — CID 113340854

IUPAC2-ethyl-N-(5-hydroxy-4-methylpentyl)hexanamide
SMILESCCCCC(CC)C(=O)NCCCC(C)CO
InChIInChI=1S/C14H29NO2/c1-4-6-9-13(5-2)14(17)15-10-7-8-12(3)11-16/h12-13,16H,4-11H2,1-3H3,(H,15,17)
InChIKeyKGCXVVLHUDPQSI-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.73
Rot. Bonds10

About 2-ethyl-N-(5-hydroxy-4-methylpentyl)hexanamide

2-ethyl-N-(5-hydroxy-4-methylpentyl)hexanamide (PubChem CID 113340854) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-ethyl-N-(5-hydroxy-4-methylpentyl)hexanamide.

Molecular Properties

Compound Name2-ethyl-N-(5-hydroxy-4-methylpentyl)hexanamide
PubChem CID113340854
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name2-ethyl-N-(5-hydroxy-4-methylpentyl)hexanamide
SMILESCCCCC(CC)C(=O)NCCCC(C)CO
InChIInChI=1S/C14H29NO2/c1-4-6-9-13(5-2)14(17)15-10-7-8-12(3)11-16/h12-13,16H,4-11H2,1-3H3,(H,15,17)
InChIKeyKGCXVVLHUDPQSI-UHFFFAOYSA-N
XLogP2.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-N-(5-hydroxy-4-methylpentyl)butanamide
CID 103861792
2-ethyl-N-pentylhexanamide
CID 5123867
2-ethyl-N-[2-(2-ethylhexanoylamino)ethyl]hexanamide
CID 4675082
N-(6-bromohexyl)-2-ethylhexanamide
CID 107847533
2-methylhexan-1-ol
CID 159157237
2-ethyl-N-undecylpentanamide
CID 160695439
(2R)-2-amino-N-(5-hydroxy-4-methylpentyl)propanamide
CID 106161371
2-ethyl-N-[2-(2-hydroxypropylamino)ethyl]hexanamide
CID 113430445
2-amino-N-(5-hydroxy-4-methylpentyl)-3,3-dimethylbutanamide
CID 106161327
N-(2-cyanoethyl)-2-ethylhexanamide
CID 62666386
5-(butylamino)-2-methylpentan-1-ol
CID 106158336
2-ethyl-N-[2-(methylamino)propyl]hexanamide;hydrochloride
CID 120832362

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(5-hydroxy-4-methylpentyl)hexanamide?
The IUPAC name of 2-ethyl-N-(5-hydroxy-4-methylpentyl)hexanamide (CID 113340854) is 2-ethyl-N-(5-hydroxy-4-methylpentyl)hexanamide.
What is the SMILES notation for 2-ethyl-N-(5-hydroxy-4-methylpentyl)hexanamide?
The canonical SMILES for 2-ethyl-N-(5-hydroxy-4-methylpentyl)hexanamide is CCCCC(CC)C(=O)NCCCC(C)CO.
What is the InChIKey of 2-ethyl-N-(5-hydroxy-4-methylpentyl)hexanamide?
The InChIKey is KGCXVVLHUDPQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-4-6-9-13(5-2)14(17)15-10-7-8-12(3)11-16/h12-13,16H,4-11H2,1-3H3,(H,15,17).
What are the key properties of 2-ethyl-N-(5-hydroxy-4-methylpentyl)hexanamide?
2-ethyl-N-(5-hydroxy-4-methylpentyl)hexanamide has a molecular weight of 243.39 g/mol, XLogP of 2.73, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(5-hydroxy-4-methylpentyl)hexanamide is sourced from PubChem (CID 113340854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).